Geometry & MOs

Info

ID:	292569
PubChem CID:	116933604
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	218.153147
ΔH_f, kcal/mol:	-33.37
Dipole, Da:	2.55
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3H-benzimidazol-5-yl)-3-methylbutane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(CC(C1=CC2=C(C=C1)NC(=O)N2)N)N

DOS

IR

Vibrations